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(Q82586885)
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English
1-[(7S,8R)-7,8-Dihydroxy-7,8-dihydronaphthalen-2-yl]ethan-1-one
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
204.078644244
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₂O₃
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canonical SMILES
CC(=O)c1ccc2c(c1)C(O)C(O)C=C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)C1=CC2=C(C=C[C@@H]([C@@H]2O)O)C=C1
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Identifiers
InChI
InChI=1S/C12H12O3/c1-7(13)9-3-2-8-4-5-11(14)12(15)10(8)6-9/h2-6,11-12,14-15H,1H3/t11-,12+/m0/s1
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InChIKey
MXKQTBLRGYPLAG-NWDGAFQWSA-N
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CAS Registry Number
817555-11-6
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PubChem CID
45092933
1 reference
matched by identifier from
InChIKey
InChIKey
MXKQTBLRGYPLAG-NWDGAFQWSA-N
UniChem compound ID
59770033
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50667127
1 reference
matched by identifier from
InChIKey
InChIKey
MXKQTBLRGYPLAG-NWDGAFQWSA-N
DSSTOX compound identifier
DTXCID20617876
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